SCHEMBL14450152

SCHEMBL14450152

CCC(Nc1c(Nc2cccc(C(=O)N(C)c3ccccc3O)c2O)c(=O)c1=O)c1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 20/20 0.80
▸ CXCR1 P25024 8/20 0.80

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12263049 1.00 CXCR2 (0.80) CXCR2CXCR1
SCHEMBL12262217 0.89 CXCR2 (1.00) CXCR2CXCR1
SCHEMBL247103 0.89 CXCR2 (1.00) CXCR2CXCR1
SCHEMBL12262251 0.89 CXCR2 (1.00) CXCR2CXCR1
SCHEMBL12086673 0.86 CXCR2 (1.00) CXCR2CXCR1
SCHEMBL248807 0.86 CXCR2 (0.83) CXCR2CXCR1
SCHEMBL12262989 0.85 CXCR2 (0.81) CXCR2CXCR1
SCHEMBL12263095 0.85 CXCR2 (0.81) CXCR2CXCR1
SCHEMBL12263116 0.85 CXCR2 (0.81) CXCR2CXCR1
SCHEMBL12263124 0.85 CXCR2 (0.80) CXCR2CXCR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1818325-A2 3,4-DI-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION (US) 2007-08-15 — — EP disclosed
Send feedback